2-(6-methoxynaphthalen-2-yl)-2-[[4-(methylazaniumyl)morpholin-2-yl]methyl]octanoate

Systemtic Name: 2-(6-methoxynaphthalen-2-yl)-2-[[4-(methylazaniumyl)morpholin-2-yl]methyl]octanoate Openeye Name: 2-(6-methoxy-2-naphthyl)-2-[[4-(methylammonio)morpholin-2-yl]methyl]octanoate CAS Name: 2-(6-methoxy-2-naphthalenyl)-2-[[4-(methylammonio)-2-morpholinyl]methyl]octanoate IUPAC Name: 2-(6-methoxynaphthalen-2-yl)-2-[[4-(methylazaniumyl)morpholin-2-yl]methyl]octanoate Traditional Name: 2-(6-methoxy-2-naphthyl)-2-[[4-(methylammonio)morpholin-2-yl]methyl]caprylate Formula: C25H36N2O4 MolecularWeight: 428.56434

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CC1CN(CCO1)[NH2+]C)(C2=CC3=C(C=C2)C=C(C=C3)OC)C(=O)[O-]

Isomeric SMILES

CCCCCCC(CC1CN(CCO1)[NH2+]C)(C2=CC3=C(C=C2)C=C(C=C3)OC)C(=O)[O-]

InChI

InChI=1S/C25H36N2O4/c1-4-5-6-7-12-25(24(28)29,17-23-18-27(26-2)13-14-31-23)21-10-8-20-16-22(30-3)11-9-19(20)15-21/h8-11,15-16,23,26H,4-7,12-14,17-18H2,1-3H3,(H,28,29)